(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid

C12H16N2O3 — CID 107563704

IUPAC(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ncccc1C)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-3-5-9(12(16)17)14-11(15)10-8(2)6-4-7-13-10/h4,6-7,9H,3,5H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyJNUUSONQIHEKLT-SECBINFHSA-N
MW236.27 g/mol
LogP1.37
Rot. Bonds5

About (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid

(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 107563704) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
PubChem CID107563704
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ncccc1C)C(=O)O
InChIInChI=1S/C12H16N2O3/c1-3-5-9(12(16)17)14-11(15)10-8(2)6-4-7-13-10/h4,6-7,9H,3,5H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyJNUUSONQIHEKLT-SECBINFHSA-N
XLogP1.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 82786990
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
(2S)-2-[(3-propan-2-yloxypyridine-2-carbonyl)amino]hexanoic acid
CID 120615460
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
CID 61243452
(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid (CID 107563704) is (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ncccc1C)C(=O)O.
What is the InChIKey of (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is JNUUSONQIHEKLT-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-5-9(12(16)17)14-11(15)10-8(2)6-4-7-13-10/h4,6-7,9H,3,5H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid?
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107563704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).